CID 43142321

2-[2-(4h-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]acetic acid

Structural Information

Molecular Formula
C7H6N4O2S
SMILES
C1=C(N=C(S1)C2=NC=NN2)CC(=O)O
InChI
InChI=1S/C7H6N4O2S/c12-5(13)1-4-2-14-7(10-4)6-8-3-9-11-6/h2-3H,1H2,(H,12,13)(H,8,9,11)
InChIKey
SANYHWBNPSXCQX-UHFFFAOYSA-N
Compound name
2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.02115 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02843 142.4
[M+Na]+ 233.01037 153.2
[M+NH4]+ 228.05497 148.3
[M+K]+ 248.98431 151.1
[M-H]- 209.01387 141.6
[M+Na-2H]- 230.99582 147.4
[M]+ 210.02060 143.8
[M]- 210.02170 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.